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Drug Discovery Today|November 29, 2016
Molecular dynamics-driven drug discovery: leaping forward with confidenceAravindhan Ganesan, Michelle L Coote, Khaled BarakatJournal of the American Chemical Society|February 18, 2021
Electrostatics and Electrochemistry: Mechanism and Scope of Charge-Transfer Reactions on the Surface of Tribocharged InsulatorsJinyang Zhang, Michelle L Coote, Simone CiampiWiley Interdisciplinary Reviews. Computational Molecular Science|January 1, 2015
Theory and practice of uncommon molecular electronic configurationsGanna Gryn'ova, Michelle L Coote, Clemence CorminboeufThe Journal of Physical Chemistry. A|December 10, 2016
Restricted-Open-Shell G4(MP2)-Type ProceduresBun Chan, Amir Karton, Krishnan Raghavachari, et al.The Journal of Physical Chemistry. A|January 25, 2013
Evaluation of the heats of formation of corannulene and C60 by means of high-level theoretical proceduresAmir Karton, Bun Chan, Krishnan Raghavachari, et al.Accounts of Chemical Research|February 9, 2010
Modeling the reactions catalyzed by coenzyme B12-dependent enzymesGregory M Sandala, David M Smith, Leo RadomJournal of Chemical Theory and Computation|November 24, 2015
Performance of Gradient-Corrected and Hybrid Density Functional Theory: Role of the Underlying Local Density Approximation and the Gradient CorrectionBun Chan, Peter M W Gill, Leo RadomThe Journal of Physical Chemistry. A|July 13, 2006
Why are the Ca2+ and K+ binding energies of formaldehyde and ammonia reversed with respect to their proton affinities?Inés Corral, Otilia Mó, Manuel Yáñez, et al.Inorganic Chemistry|October 24, 2001
A G2 Ab Initio Investigation of Ligand-Exchange Reactions Involving Mono- and Bis-Adducts of the Phosphenium IonTheis I. Sølling, S. Bruce Wild, Leo RadomJournal of the American Chemical Society|September 20, 2007
Proton-bound homodimers: how are the binding energies related to proton affinities?Bun Chan, Janet E Del Bene, Leo RadomPageof 30